N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dinitro-benzamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dinitro-benzamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dinitrobenzamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dinitro-benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O5/c1-10-4-5-13(6-11(10)2)12(3)18-17(21)14-7-15(19(22)23)9-16(8-14)20(24)25/h4-9,12H,1-3H3,(H,18,21)